3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

C17H23N3O4S — CID 90613992

IUPAC3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)cc1OC
InChIInChI=1S/C17H23N3O4S/c1-23-16-8-7-14(11-17(16)24-2)25(21,22)19-9-10-20-15-6-4-3-5-13(15)12-18-20/h7-8,11-12,19H,3-6,9-10H2,1-2H3
InChIKeyBGIFUXFXQJVGJX-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.76
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90613992) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90613992
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)cc1OC
InChIInChI=1S/C17H23N3O4S/c1-23-16-8-7-14(11-17(16)24-2)25(21,22)19-9-10-20-15-6-4-3-5-13(15)12-18-20/h7-8,11-12,19H,3-6,9-10H2,1-2H3
InChIKeyBGIFUXFXQJVGJX-UHFFFAOYSA-N
XLogP1.76
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90613978
4-ethoxy-3-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613985
2,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613993
4-methoxy-3,5-dimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613986
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613926
3-chloro-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90615376
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propane-1-sulfonamide
CID 90613912
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
CID 22207426
3,4-dimethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033855
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
1-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90613922

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide (CID 90613992) is 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCn2ncc3c2CCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BGIFUXFXQJVGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-23-16-8-7-14(11-17(16)24-2)25(21,22)19-9-10-20-15-6-4-3-5-13(15)12-18-20/h7-8,11-12,19H,3-6,9-10H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90613992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).